Geometry & MOs

Info

ID:

429045

PubChem CID:

135168708

Reduced:

ON2H48C80 (1)

Stoich.:

AB2C48D80 (1)

Weight, g/mol:

1104.407964

ΔHf, kcal/mol:

418.41

Dipole, Da:

1.8

IP(EA), eV:

 -8.0(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N(C7=CC=C(C=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC=C(C=C1)C1=C2C3=CC=CC=C3C3(C2=CC=C1)C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C3=CC=C2

DOS

IR

Vibrations